N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine

C12H25NO — CID 106456986

IUPACN-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
SMILESCNCC1(CCOCC(C)C)CCC1
InChIInChI=1S/C12H25NO/c1-11(2)9-14-8-7-12(10-13-3)5-4-6-12/h11,13H,4-10H2,1-3H3
InChIKeyJMWZZYXEWRPNKG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds7

About N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine

N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine (PubChem CID 106456986) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
PubChem CID106456986
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
SMILESCNCC1(CCOCC(C)C)CCC1
InChIInChI=1S/C12H25NO/c1-11(2)9-14-8-7-12(10-13-3)5-4-6-12/h11,13H,4-10H2,1-3H3
InChIKeyJMWZZYXEWRPNKG-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine
CID 106456830
N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine
CID 65194527
N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 106457015
[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456984
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306
N-methyl-1-[1-(4-methylpentyl)cyclobutyl]methanamine
CID 83168798
N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine
CID 62725178
[1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine
CID 106459323
1-[2-(2-methylpropoxy)ethyl]cyclobutan-1-amine
CID 106459234
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine (CID 106456986) is N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine is CNCC1(CCOCC(C)C)CCC1.
What is the InChIKey of N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine?
The InChIKey is JMWZZYXEWRPNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)9-14-8-7-12(10-13-3)5-4-6-12/h11,13H,4-10H2,1-3H3.
What are the key properties of N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine?
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine is sourced from PubChem (CID 106456986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).